N-[2-(tert-butylamino)-2-oxoethyl]-N-(3-chlorophenyl)thiadiazole-4-carboxamide

C15H17ClN4O2S — CID 4995947

IUPACN-[2-(tert-butylamino)-2-oxoethyl]-N-(3-chlorophenyl)thiadiazole-4-carboxamide
SMILESCC(C)(C)NC(=O)CN(C(=O)c1csnn1)c1cccc(Cl)c1
InChIInChI=1S/C15H17ClN4O2S/c1-15(2,3)17-13(21)8-20(11-6-4-5-10(16)7-11)14(22)12-9-23-19-18-12/h4-7,9H,8H2,1-3H3,(H,17,21)
InChIKeyFLUHRUQMCCHPPL-UHFFFAOYSA-N
MW352.85 g/mol
LogP2.75
Rot. Bonds4

About N-[2-(tert-butylamino)-2-oxoethyl]-N-(3-chlorophenyl)thiadiazole-4-carboxamide

N-[2-(tert-butylamino)-2-oxoethyl]-N-(3-chlorophenyl)thiadiazole-4-carboxamide (PubChem CID 4995947) has the molecular formula C15H17ClN4O2S and a molecular weight of 352.85 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-N-(3-chlorophenyl)thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxoethyl]-N-(3-chlorophenyl)thiadiazole-4-carboxamide
PubChem CID4995947
Molecular FormulaC15H17ClN4O2S
Molecular Weight352.85 g/mol
Exact Mass352.08
IUPAC NameN-[2-(tert-butylamino)-2-oxoethyl]-N-(3-chlorophenyl)thiadiazole-4-carboxamide
SMILESCC(C)(C)NC(=O)CN(C(=O)c1csnn1)c1cccc(Cl)c1
InChIInChI=1S/C15H17ClN4O2S/c1-15(2,3)17-13(21)8-20(11-6-4-5-10(16)7-11)14(22)12-9-23-19-18-12/h4-7,9H,8H2,1-3H3,(H,17,21)
InChIKeyFLUHRUQMCCHPPL-UHFFFAOYSA-N
XLogP2.75
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.85
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(tert-butylamino)-2-oxoethyl]-N-(3-methoxyphenyl)thiadiazole-4-carboxamide
CID 43814259
N-(3-chlorophenyl)-N-[2-(cyclopentylamino)-2-oxoethyl]thiadiazole-4-carboxamide
CID 1467648
N-[2-(tert-butylamino)-2-oxoethyl]-N-(2,6-dimethylphenyl)thiadiazole-4-carboxamide
CID 3222156
N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(3-methylphenyl)thiadiazole-4-carboxamide
CID 3221805
N-[2-(tert-butylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(3-chlorophenyl)thiadiazole-4-carboxamide
CID 3222099
N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(3-chlorophenyl)thiadiazole-4-carboxamide
CID 3222102
N-[2-(tert-butylamino)-2-oxoethyl]-N-(2-methoxy-5-methylphenyl)thiadiazole-4-carboxamide
CID 3222025
N-[(1R)-2-(tert-butylamino)-1-(4-chlorophenyl)-2-oxoethyl]-N-(3-methylphenyl)thiadiazole-4-carboxamide
CID 25410234
N-(3-methoxyphenyl)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]thiadiazole-4-carboxamide
CID 43814721
N-(3-acetylphenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]thiadiazole-4-carboxamide
CID 24793351
2-(3-chloro-N-(6-methylpyridine-2-carbonyl)anilino)acetic acid
CID 60826054
N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3,4-dimethylphenyl)thiadiazole-4-carboxamide
CID 3219269

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-N-(3-chlorophenyl)thiadiazole-4-carboxamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-N-(3-chlorophenyl)thiadiazole-4-carboxamide (CID 4995947) is N-[2-(tert-butylamino)-2-oxoethyl]-N-(3-chlorophenyl)thiadiazole-4-carboxamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-N-(3-chlorophenyl)thiadiazole-4-carboxamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-N-(3-chlorophenyl)thiadiazole-4-carboxamide is CC(C)(C)NC(=O)CN(C(=O)c1csnn1)c1cccc(Cl)c1.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]-N-(3-chlorophenyl)thiadiazole-4-carboxamide?
The InChIKey is FLUHRUQMCCHPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O2S/c1-15(2,3)17-13(21)8-20(11-6-4-5-10(16)7-11)14(22)12-9-23-19-18-12/h4-7,9H,8H2,1-3H3,(H,17,21).
What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-N-(3-chlorophenyl)thiadiazole-4-carboxamide?
N-[2-(tert-butylamino)-2-oxoethyl]-N-(3-chlorophenyl)thiadiazole-4-carboxamide has a molecular weight of 352.85 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxoethyl]-N-(3-chlorophenyl)thiadiazole-4-carboxamide is sourced from PubChem (CID 4995947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).